2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole

C23H18F3N9O — CID 162722579

IUPAC2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFc1cc(Cn2nnc(-c3cccc(-c4nc5c([nH]4)CNCC5)c3)n2)ccc1-c1nnc(C(F)F)o1
InChIInChI=1S/C23H18F3N9O/c24-16-8-12(4-5-15(16)22-31-32-23(36-22)19(25)26)11-35-33-21(30-34-35)14-3-1-2-13(9-14)20-28-17-6-7-27-10-18(17)29-20/h1-5,8-9,19,27H,6-7,10-11H2,(H,28,29)
InChIKeyLHFIAKCUTHSVNO-UHFFFAOYSA-N
MW493.45 g/mol
LogP3.55
Rot. Bonds6

About 2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162722579) has the molecular formula C23H18F3N9O and a molecular weight of 493.45 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162722579
Molecular FormulaC23H18F3N9O
Molecular Weight493.45 g/mol
Exact Mass493.16
IUPAC Name2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFc1cc(Cn2nnc(-c3cccc(-c4nc5c([nH]4)CNCC5)c3)n2)ccc1-c1nnc(C(F)F)o1
InChIInChI=1S/C23H18F3N9O/c24-16-8-12(4-5-15(16)22-31-32-23(36-22)19(25)26)11-35-33-21(30-34-35)14-3-1-2-13(9-14)20-28-17-6-7-27-10-18(17)29-20/h1-5,8-9,19,27H,6-7,10-11H2,(H,28,29)
InChIKeyLHFIAKCUTHSVNO-UHFFFAOYSA-N
XLogP3.55
TPSA123.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162722579) is 2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is Fc1cc(Cn2nnc(-c3cccc(-c4nc5c([nH]4)CNCC5)c3)n2)ccc1-c1nnc(C(F)F)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is LHFIAKCUTHSVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N9O/c24-16-8-12(4-5-15(16)22-31-32-23(36-22)19(25)26)11-35-33-21(30-34-35)14-3-1-2-13(9-14)20-28-17-6-7-27-10-18(17)29-20/h1-5,8-9,19,27H,6-7,10-11H2,(H,28,29).
What are the key properties of 2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 493.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[2-fluoro-4-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).